Crystallography Open Database

Information card for entry 7708604

Preview

Coordinates	7708604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C155 H198 Cl19 Ir2 N12 O8
Calculated formula	C155 H198 Cl19 Ir2 N12 O8
Title of publication	Inherently dinuclear iridium(III) meso architectures accessed by cyclometalation of calix[4]arene-based bis(aryltriazoles)
Authors of publication	Bezzubov, Stanislav; Ermolov, Kirill; Gorbunov, Alexander; Kalle, Paulina; Lentin, Ivan; Latyshev, Gennadij; Kovalev, Vladimir; Vatsouro, Ivan
Journal of publication	Dalton Transactions
Year of publication	2021
a	19.636 ± 0.0013 Å
b	13.1399 ± 0.0006 Å
c	34.199 ± 0.002 Å
α	90°
β	103.304 ± 0.002°
γ	90°
Cell volume	8587.1 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1011
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1756
Weighted residual factors for all reflections included in the refinement	0.1895
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270117 (current)	2021-10-29	cif/ Adding structures of 7708599, 7708600, 7708601, 7708602, 7708603, 7708604, 7708605 via cif-deposit CGI script.	7708604.cif